2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide

C16H14ClN3OS — CID 86266346

IUPAC2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3OS/c17-14-4-2-1-3-13(14)16(21)18-7-9-20-8-5-15(19-20)12-6-10-22-11-12/h1-6,8,10-11H,7,9H2,(H,18,21)
InChIKeyNKBYFEHDXNYVNL-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide

2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 86266346) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID86266346
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3OS/c17-14-4-2-1-3-13(14)16(21)18-7-9-20-8-5-15(19-20)12-6-10-22-11-12/h1-6,8,10-11H,7,9H2,(H,18,21)
InChIKeyNKBYFEHDXNYVNL-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide (CID 86266346) is 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is NKBYFEHDXNYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-14-4-2-1-3-13(14)16(21)18-7-9-20-8-5-15(19-20)12-6-10-22-11-12/h1-6,8,10-11H,7,9H2,(H,18,21).
What are the key properties of 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 331.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 86266346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).